SCHEMBL4158718

SCHEMBL4158718

CO[C@H](C)[C@@H](N)c1nc2cc(Br)ccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 13/20 0.57
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
RAB9A P51151 1/20 0.37
AAK1 Q2M2I8 1/20 0.35
MLKL Q8NB16 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4157161 0.85 SCN10A (0.48) SCN10ALMNAKDM4EHSD17B10TAAR1
SCHEMBL15172655 0.83 SCN10A (0.57) SCN10ALMNAKDM4EHSD17B10TAAR1
SCHEMBL15157108 0.83 SCN10A (0.57) SCN10ALMNAKDM4EHSD17B10TAAR1
SCHEMBL5111186 0.83 SCN10A (0.57) SCN10ALMNAKDM4EHSD17B10TAAR1
SCHEMBL31709619 0.82 LMNA (0.41) SCN10ALMNAKDM4EHSD17B10TAAR1
SCHEMBL4154842 0.82 CSNK2A1 (0.45) SCN10ALMNAKDM4EHSD17B10TAAR1
SCHEMBL5101171 0.82 CSNK2A1 (0.45) SCN10ALMNAKDM4EHSD17B10TAAR1
SCHEMBL15172705 0.81 SCN10A (0.81) SCN10AAAK1
SCHEMBL15172666 0.81 SCN10A (0.81) SCN10AAAK1
SCHEMBL15157520 0.81 SCN10A (0.81) SCN10AAAK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-07-16 US disclosed
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US disclosed
EP-1583757-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-10-12 EP disclosed
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 US disclosed
WO-2004058743-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions F11, F12, F2 SCN10A 485/4885LMNA 774/4885KDM4E 4499/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 SCN10A 420/4885LMNA 323/4885KDM4E 4456/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.